srDFT_G2/Manuscript/G2-srDFT.bib

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@misc{BraTouCafUmr-JJJ-XX-note2,
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@misc{BraTouCafUmr-JJJ-XX-note3,
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@incollection{EngDre-TCC-96,
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	Editor = {R. F. Nalewajski},
	Pages = {1},
	Publisher = {Springer},
	Year = {1996}}

@article{EngHocDre-PRA-00,
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@incollection{Eng-INC-02,
	Author = {E. Engel},
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	Series = {Theoretical and Computational Chemistry, Vol. 11},
	Year = {2002}}

@incollection{Eng-INC-03,
	Address = {Berlin},
	Author = {E. Engel},
	Booktitle = {A Primer in Density Functional Theory},
	Editor = {C. Fiolhais and F. Nogueira and M. A. L. Marques},
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	Publisher = {Springer},
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@article{EngKelDre-PRA-96,
	Author = {{E. Engel, S. Keller, and R. M. Dreizler}},
	Journal = {Phys. Rev. A},
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	Volume = {53},
	Year = {1996}}

@article{EngKelFacMulDre-PRA-95,
	Author = {{E. Engel, S. Keller, A. Facco Bonetti, H. M\"uller, and R. M. Dreizler}},
	Journal = {Phys. Rev. A},
	Pages = {2750},
	Volume = {52},
	Year = {1995}}

@incollection{EngMulSpeDre-INC-95,
	Address = {New York},
	Author = {E. Engel and H. M\"uller and C. Speicher and R. M. Dreizler},
	Booktitle = {Density Functional Theory, Vol. 337 of NATO ASI Series B},
	Editor = {E. K. U. Gross and R. M. Dreizler},
	Pages = {65},
	Publisher = {Plenum},
	Year = {1995}}

@article{Eng-PRA-95,
	Author = {E. Engel},
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	Pages = {1159},
	Volume = {{51}},
	Year = {1995}}

@article{EngVos-PRB-93,
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	Year = {1997}}

@incollection{ErnPerBur-INC-96,
	Address = {Berlin},
	Author = {M. Ernzerhof and J. P. Perdew, and K. Burke},
	Booktitle = {Density Functional Theory},
	Editor = {R. Nalewajski},
	Publisher = {Springer-Verlag},
	Year = {1996}}

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	Year = {1998}}

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	Year = {1999}}

@article{EshBatFur-TCA-12,
	Affiliation = {Department of Chemistry, University of California, 1102 Natural Sciences II, Irvine, CA 92697-2025, USA},
	Author = {Eshuis, Henk and Bates, Jefferson and Furche, Filipp},
	Issue = {1},
	Journal = {Theor. Chem. Acc.},
	Keyword = {Chemistry and Materials Science},
	Optnote = {10.1007/s00214-011-1084-8},
	Opturl = {http://dx.doi.org/10.1007/s00214-011-1084-8},
	Pages = {1084},
	Publisher = {Springer Berlin / Heidelberg},
	Title = {Electron correlation methods based on the random phase approximation},
	Volume = {131},
	Year = {2012}}

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@misc{exp_2nd_excited_state,
	Note = {Le r{\'e}sultat exp{\'e}rimental dans l'article de Alijah et Duxbury (1.411 eV) a {\'e}t{\'e} corrig{\'e} pour enlever l'{\'e}nergie de point z{\'e}ro en utilisant les calculs FCI/TZ2P de Sherrill et al. (0.004 eV).}}

@article{FabBouDucAttBla-JCP-13,
	Author = {C. Faber and P. Boulanger and I. Duchemin and C. Attaccalite and X. Blase},
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	Pages = {194308},
	Volume = {139},
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	Journal = {J. Chem. Phys.},
	Pages = {214102},
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	Volume = {131},
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	Year = {1999}}

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	Volume = {103},
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	Volume = {17},
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	Pages = {6104},
	Volume = {96},
	Year = {1992}}

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	Pages = {7059},
	Volume = {98},
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	Volume = {133},
	Year = {2010}}

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	Journal = {J. Chem. Phys.},
	Pages = {4119},
	Volume = {117},
	Year = {2002}}

@article{FerBalLop-JCTC-15,
	Author = {R. G. Fernando and M. C. Balhoff and K. Lopata},
	Journal = {J. Chem. Theory Comput.},
	Pages = {646},
	Volume = {11},
	Year = {2015}}

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	Author = {{J. Fern\'andez Rico, R. L\'opez, A. Aguado, I. Ema, and G. Ram\'irez}},
	Journal = {Int. J. Quantum Chem.},
	Pages = {148},
	Volume = {81},
	Year = {2001}}

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	Journal = {Phys. Rev.},
	Pages = {450},
	Volume = {{107}},
	Year = {1957}}

@article{FerRamLopFer-CCCC-88,
	Author = {{J. Fern\'andez Rico, G. Ram\'irez, R. L\'opez and J. I. Fern\'andez-Alonso}},
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	Pages = {2250},
	Volume = {{53}},
	Year = {1988}}

@book{FetWal-BOOK-03,
	Author = {A. L. Fetter and J. D. Walecka},
	Publisher = {Dover},
	Title = {Quantum Theory of Many-Particle Systems},
	Year = {2003}}

@article{FilAssMor-JCP-16,
	Author = {C. Filippi, R. Assaraf and S. Moroni},
	Journal = {J. Chem. Phys.},
	Pages = {194105},
	Title = {{Simple formalism for efficient derivatives and multi-determinant expansions in quantum Monte Carlo}},
	Volume = {144},
	Year = {2016}}

@article{FilFah-JCP-00,
	Author = {Claudia Filippi and Stephen Fahy},
	Journal = {J. Chem. Phys.},
	Pages = {3523},
	Volume = {112},
	Year = {2000}}

@incollection{FilGonUmr-INC-96,
	Address = {Amsterdam},
	Author = {Claudia Filippi and Xavier Gonze and C. J. Umrigar},
	Booktitle = {Recent Developments of Modern Density Functional Theory},
	Editor = {J. M. Seminario},
	Pages = {295-326},
	Publisher = {Elsevier},
	Title = {Generalized gradient approximations to density functional theory: comparison with exact results},
	Year = {1996}}

@misc{Fil-PRIV-XX,
	Author = {C. Filippi},
	Note = {private communication}}

@article{FilSha-CPL-00,
	Author = {Michael Filatov and Sason Shaik},
	Journal = {Chem. Phys. Lett.},
	Pages = {409},
	Volume = {332},
	Year = {1999}}

@article{FilSha-CPL-99,
	Author = {M. Filatov and S. Shaik},
	Journal = {Chem. Phys. Lett.},
	Pages = {429},
	Title = {{A spin-restricted ensemble-referenced Kohn-Sham method and its application to diradicaloid situations}},
	Volume = {304},
	Year = {1999}}

@article{FilSha-JPCA-00,
	Author = {Michael Filatov and Sason Shaik},
	Journal = {J. Phys. Chem. A},
	Pages = {6628},
	Volume = {104},
	Year = {2000}}

@article{FilSha-JPCA-99,
	Author = {Michael Filatov and Sason Shaik},
	Journal = {J. Phys. Chem. A},
	Pages = {8885},
	Volume = {103},
	Year = {1999}}

@article{FilShaWoeGriPey-CPL-00,
	Author = {Michael Filatov and Sason Shaik and M. Woeller and S. Grimme and S.D. Peyerimhoff},
	Journal = {Chem. Phys. Lett.},
	Pages = {135},
	Volume = {316},
	Year = {2000}}

@misc{FilTouUmr-JJJ-XX,
	Author = {Claudia Filippi and Julien Toulouse and C. J. Umrigar},
	Title = {in preparation}}

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	Author = {C. Filippi and C. J. Umrigar and X. Gonze},
	Journal = {J. Chem. Phys.},
	Pages = {9994},
	Title = {{Excitation energies from density functional perturbation theory}},
	Volume = {107},
	Year = {1997}}

@article{FilUmrGon-PRA-96,
	Author = {C. Filippi and C. J. Umrigar and X. Gonze},
	Journal = {Phys. Rev. A},
	Pages = {4810},
	Volume = {54},
	Year = {1996}}

@article{FilUmr-JCP-96,
	Author = {C. Filippi and C. J. Umrigar},
	Journal = {J. Chem. Phys.},
	Pages = {213},
	Title = {Multiconfiguration wave functions for quantum Monte Carlo calculations of first-row diatomic molecules},
	Volume = {{105}},
	Year = {1996}}

@article{Fil-WIR-14,
	Author = {M. Filatov},
	Journal = {WIREs Comput. Mol. Sci.},
	Pages = {146},
	Title = {{Spin-restricted ensemble-referenced Kohn-Sham method: basic principles and application to strongly correlated ground and excited states of molecules}},
	Volume = {5},
	Year = {2015}}

@article{FilZacBud-JCTC-09,
	Author = {C. Filippi and M. Zaccheddu and F. Buda},
	Journal = {J. Chem. Theory Comput.},
	Pages = {2074},
	Title = {Absorption Spectrum of the Green Fluorescent Protein Chromophore: A Difficult Case for ab Initio Methods?},
	Volume = {5},
	Year = {2009}}

@article{FilZacBud-JJJ-XX,
	Author = {Claudia Filippi and Maurizio Zaccheddu and Francesco Buda},
	Note = {unpublished}}

@incollection{FlaCafSav-INC-97,
	Address = {Singapore},
	Author = {H.-J. Flad and M. Caffarel and A. Savin},
	Booktitle = {Recent advances in quantum Monte Carlo methods},
	Editor = {W. A. Lester},
	Pages = {73},
	Publisher = {World Scientific},
	Title = {Quantum Monte Carlo calculations with multi-reference trial wave functions},
	Year = {1997}}

@misc{Fla-PRIV-XX,
	Author = {H. J. Flad},
	Title = {private communication}}

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	Author = {H.-J. Flad and A. Savin},
	Journal = {J. Chem. Phys.},
	Pages = {691},
	Volume = {103},
	Year = {1995}}

@article{FlaSavPre-JCP-92,
	Author = {H.-J. Flad and A. Savin and H. Preuss},
	Journal = {J. Chem. Phys.},
	Pages = {459},
	Volume = {97},
	Year = {1992}}

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	Author = {H.-J. Flad and A. Savin and M. Schultheiss and A. Nicklass and H. Preuss},
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	Pages = {274},
	Volume = {222},
	Year = {1994}}

@article{FloGda-JCP-05,
	Author = {J. R. Flores and R. J. Gdanitz},
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	Pages = {144316},
	Volume = {123},
	Year = {2005}}

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	Volume = {63},
	Year = {1930}}

@article{FouMitNeeRaj-RMP-01,
	Author = {W. M. C. Foulkes and L. Mitas and R. J. Needs and G. Rajagopal},
	Journal = {Rev. Mod. Phys.},
	Pages = {33},
	Title = {{Quantum Monte Carlo simulations of solids}},
	Volume = {{73}},
	Year = {2001}}

@article{FraDurMes-JCP-97,
	Author = {X. Fradera and M. Duran and J. Mestres},
	Journal = {J. Chem. Phys.},
	Pages = {3576},
	Volume = {107},
	Year = {1997}}

@article{FraFilAmo-JCTC-12,
	Author = {F. Fracchia and C. Filippi and C. Amovilli},
	Journal = {J. Chem. Theory Comput.},
	Pages = {1943},
	Title = {Size-extensive wave functions for quantum Monte Carlo: A linear scaling generalized valence bond approach},
	Volume = {8},
	Year = {2012}}

@misc{FraLupTou-JJJ-XX,
	Author = {O. Franck and E. Luppi and J. Toulouse},
	Note = {unpublished}}

@article{FraMusLupTou-JCP-15,
	Author = {O. Franck and B. Mussard and E. Luppi and J. Toulouse},
	Journal = {J. Chem. Phys.},
	Pages = {074107},
	Title = {Basis convergence of range-separated density-functional theory},
	Volume = {142},
	Year = {2015}}

@misc{FraMusLupTou-JJJ-XX,
	Author = {O. Franck and B. Mussard and E. Luppi and J. Toulouse},
	Note = {Basis convergence of range-separated density-functional theory, arXiv:1412.2613, to appear in J. Chem. Phys.}}

@misc{FraMusLupTou-JJJ-XX-note1,
	Note = {Note that the partial-wave expansion of any {\it odd} power of $r_{12}$ contains an infinite number of terms. In contrast, the partial-wave expansion of any {\it even} power of $r_{12}$ terminates at a finite $\ell$.}}

@misc{FraMusLupTou-JJJ-XX-note2,
	Note = {For a discussion of angular and radial correlation and the shape of the correlation hole in the He atom with the long-range interaction, see Ref.~\onlinecite{PolColLeiStoWerSav-IJQC-03}.}}

@misc{FraMusLupTou-JJJ-XX-note3,
	Note = {For $\mu=1$ the difference between the long-range MP2 correlation energies for $X=5$ and $X=6$ is still as small as about 0.2 mhartree.}}

@misc{FraMusLupTou-JJJ-XX-note4,
	Note = {For $r_1=r_2$, $f\lr_\ell >0$ for $\ell=0$ and $f\lr_\ell <0$ for $\ell \geq 1$.}}

@article{FreHuxMor-PRA-84,
	Author = {{D. E. Freund, B. D. Huxtable, and J. D. Morgan III}},
	Journal = {Phys. Rev. A},
	Pages = {980},
	Volume = {29},
	Year = {1984}}

@article{FreLev-JCP-82,
	Author = {Karl F. Freed and Mel Levy},
	Journal = {The Journal of Chemical Physics},
	Keywords = {ALGORITHMS; ELECTRON DENSITY; FUNCTIONALS; SERIES EXPANSION; WAVE FUNCTIONS; GROUND STATES},
	Number = {1},
	Pages = {396-398},
	Publisher = {AIP},
	Title = {Direct first principles algorithm for the universal electron density functional},
	Url = {http://link.aip.org/link/?JCP/77/396/1},
	Volume = {77},
	Year = {1982},
	Bdsk-Url-1 = {http://link.aip.org/link/?JCP/77/396/1}}

@article{Fre-PRB-77,
	Author = {D. L. Freeman},
	Journal = {Phys. Rev. B},
	Pages = {5512},
	Volume = {{15}},
	Year = {1977}}

@article{FroCimJen-PRA-10,
	Author = {Fromager, Emmanuel and Cimiraglia, Renzo and Jensen, Hans J\o{}rgen Aa.},
	Doi = {10.1103/PhysRevA.81.024502},
	Issue = {2},
	Journal = {Phys. Rev. A},
	Month = {Feb},
	Numpages = {4},
	Pages = {024502},
	Publisher = {American Physical Society},
	Title = {Merging multireference perturbation and density-functional theories by means of range separation: Potential curves for ${\mathrm{Be}}_{2}$, ${\mathrm{Mg}}_{2}$, and ${\mathrm{Ca}}_{2}$},
	Url = {https://link.aps.org/doi/10.1103/PhysRevA.81.024502},
	Volume = {81},
	Year = {2010},
	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevA.81.024502},
	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevA.81.024502}}

@article{Fro-JCP-11,
	Author = {E. Fromager},
	Journal = {J. Chem. Phys.},
	Pages = {244106},
	Volume = {135},
	Year = {2011}}

@article{FroJen-JCP-11,
	Author = {E. Fromager and H. J. Aa. Jensen},
	Journal = {J. Chem. Phys.},
	Pages = {034116},
	Volume = {135},
	Year = {2011}}

@article{FroJen-PRA-08,
	Author = {E. Fromager and H. J. Aa. Jensen},
	Journal = {Phys. Rev. A},
	Pages = {022504},
	Volume = {78},
	Year = {2008}}

@misc{FroKneJen-ARX-12,
	Author = {Emmanuel Fromager and Stefan Knecht and H. J. Aa. Jensen},
	Note = {\url{http://fr.arxiv.org/abs/1211.4829v1}}}

@article{FroKneJen-JCP-13,
	Author = {E. Fromager and S. Knecht and H. J. Aa. Jensen},
	Journal = {J. Chem. Phys.},
	Pages = {084101},
	Title = {{Multi-configuration time-dependent density-functional theory based on range separation}},
	Volume = {138},
	Year = {2013}}

@article{FroReaWahWahJen-JCP-09,
	Author = {E. Fromager and F. R\'eal and P. W{\aa}hlin and U. Wahlgren and H. J. Aa. Jensen},
	Journal = {J. Chem. Phys.},
	Pages = {054107},
	Volume = {131},
	Year = {2009}}

@article{FroTouJen-JCP-07,
	Author = {E. Fromager and J. Toulouse and H. J. Aa. Jensen},
	Journal = {J. Chem. Phys.},
	Pages = {074111},
	Title = {On the universality of the long-/short-range separation in multiconfigurational density-functional theory},
	Volume = {126},
	Year = {2007}}

@article{FucGon-PRB-02,
	Author = {M. Fuchs and X. Gonze},
	Journal = {Phys. Rev. B},
	Pages = {235109},
	Volume = {65},
	Year = {2002}}

@article{FucNiqGonBur-JCP-05,
	Abstract = {We show that density functional theory within the RPA (random phase
        approximation for the exchange-correlation energy) provides a correct
        description of bond dissociation in H2 in a spin-restricted Kohn-<96>Sham
        formalism, i.e., without artificial symmetry breaking. We present
        accurate adiabatic connection curves both at equilibrium and beyond
        the Coulson-Fisher point. The strong curvature at large bond length
        implies important static (left-<96>right) correlation, justifying modern
        hybrid functional constructions but also demonstrating their limitations.
        Although exact at infinite separation and accurate near the equilibrium
        bond length, the RPA dissociation curve displays unphysical repulsion
        at larger but finite bond lengths. Going beyond the RPA by including
        the exact exchange kernel (RPA + X), we find a similar repulsion.
        We argue that this deficiency is due to the absence of double excitations
        in adiabatic linear response theory. Further analyzing the H2 dissociation
        limit we show that the RPA + X is not size consistent, in contrast
        to the RPA.},
	Author = {Fuchs, M. and Niquet, Y. M. and Gonze, X. and Burke, K.},
	Doi = {10.1063/1.1858371},
	Journal = {J. Chem. Phys.},
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@misc{KalTou-JJJ-XX-note1,
	Note = {The geometries are available in the Minnesota Database at http://comp.chem.umn.edu/db/.}}

@misc{KalTou-JJJ-XX-note2,
	Note = {The term ``range-separated double hybrid (RSDH)'' has already been used in Ref.~\onlinecite{SanCivUsvTouShaMas-JCP-15} to designate the RSH+MP2 method and in Refs.~\onlinecite{CorStoJenFro-PRA-13,CorFro-IJQC-14} to generically designate several kinds of range-separated MP2/DFT hybrids. In the present work, we use RSDH to designate the specific scheme corresponding to Eq.~(\ref{EmulRSDH}).}}

@misc{KalTou-JJJ-XX-note3,
	Note = {We use the AE49 set of Fast {\it et al.}~\cite{FasCorSanTru-JPCA-99} to facilitate comparisons with previous related works~\cite{ShaTouSav-JCP-11,SouShaTou-JCP-14,MusReiAngTou-JCP-15} where this set was used. We do not expect any special difficulties with the six molecules that have been dropped from the G2-1 set.}}

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@misc{lifetimes-note1,
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@misc{lifetimes-note2,
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@misc{Molproshort-PROG-08,
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@misc{Molproshort-PROG-15,
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	Note = {{Cardiff, UK, 2015, see \url{http://www.molpro.net}}},
	Title = {{MOLPRO, version 2015.1, a package of ab initio programs}}}

@misc{Molproweb-PROG-XX,
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	Abstract = {Abstract The charge density response function and the exchange hole are closely related to each other via the fundamental fluctuation--dissipation theorem of physics. A simple approximate model of the static response function is visually compared on several examples in order to demonstrate this relationship. This study is completed by illustrating the well-known isomorphism between the exchange hole and the square of the dominant localized orbital lying in the space region of the reference point of the exchange hole function. The implications of these relationships for the interpretation of common chemical concepts, such as delocalization, are discussed. },
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	Journal = {Computational and Theoretical Chemistry},
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	Pages = {44 - 52},
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	Author = {B. Mussard and E. Coccia and R. Assaraf and M. Otten and C. J. Umrigar and J. Toulouse},
	Booktitle = {Novel Electronic Structure Theory: General Innovations and Strongly Correlated Systems},
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	Editor = {P. E. Hoggan},
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	Publisher = {Academic Press},
	Series = {Advances in Quantum Chemistry Vol. 76},
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	Volume = {142},
	Year = {2015}}

@misc{MusReiAngTou-JJJ-XX-note,
	Note = {See the supplementary material for the detailed results of the calculations on the AE49 and DBH24/08 datasets.}}

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@article{MusRocJanAng-JJJ-XX,
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	Note = {unpublished}}

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@article{nagy:134107,
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	Journal = {The Journal of Chemical Physics},
	Keywords = {density functional theory; potential energy functions},
	Number = {13},
	Numpages = {5},
	Pages = {134107},
	Publisher = {AIP},
	Title = {Generalized density functional theory for degenerate states},
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	Volume = {122},
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@misc{PaqTou-JJJ-XX-note,
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@phdthesis{Ped-THESIS-04,
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	Pages = {052511},
	Volume = {81},
	Year = {2010}}

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	Journal = {Phys. Rev. B},
	Pages = {8822},
	Volume = {{33}},
	Year = {1986}}

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	Pages = {1665},
	Volume = {{55}},
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@article{PerSavBur-PRA-95,
	Author = {J. P. Perdew and A. Savin and K. Burke},
	Journal = {Phys. Rev. A},
	Pages = {4531},
	Title = {{Escaping the symmetry dilemma through a pair-density interpretation of spin-density functional theory}},
	Volume = {51},
	Year = {1995}}

@article{PerWan2-PRB-92,
	Author = {J. P. Perdew and Y. Wang},
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	Pages = {12947},
	Volume = {{46}},
	Year = {1992}}

@article{PerWan-PRB-86,
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	Volume = {{33}},
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@article{PerWan-PRB-92,
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	Volume = {45},
	Year = {1992}}

@article{PerZun-PRB-81,
	Author = {J. P. Perdew and A. Zunger},
	Journal = {Phys. Rev. B},
	Pages = {5048},
	Volume = {23},
	Year = {1981}}

@article{PetDun-JCP-02,
	Author = {{K. A. Peterson and T. H. Dunning, Jr}},
	Journal = {J. Chem. Phys.},
	Pages = {10548},
	Volume = {117},
	Year = {2002}}

@article{PetDun-JPC-95,
	Author = {{K. A. Peterson and T. H. Dunning Jr.}},
	Journal = {J. Phys. Chem.},
	Pages = {3898},
	Volume = {99},
	Year = {1995}}

@article{PetGosGro-PRL-96,
	Author = {M. Petersilka and U. J. Gossmann and E. K. U. Gross},
	Journal = {Phys. Rev. Lett.},
	Pages = {1212},
	Volume = {76},
	Year = {1996}}

@article{PetGro-IJQC-96,
	Author = {M. Petersilka and E. K. U. Gross},
	Journal = {Int. J. Quantum Chem. Symp.},
	Pages = {1393},
	Volume = {30},
	Year = {1996}}

@article{PetHolChaNigUmr-PRL-12,
	Author = {F. R. Petruzielo and A. A. Holmes and H. J. Changlani and M. P. Nightingale and C. J. Umrigar},
	Journal = {Phys. Rev. Lett.},
	Pages = {230201},
	Title = {Semistochastic Projector Monte Carlo Method},
	Volume = {109},
	Year = {2012}}

@article{PetKenDun-JCP-93b,
	Author = {{K. A. Peterson, R. A. Kendall and T. H. Dunning Jr.}},
	Journal = {J. Chem. Phys.},
	Pages = {9790},
	Volume = {99},
	Year = {1993}}

@article{PetTouUmr-JCP-11,
	Author = {F. R. Petruzielo and J. Toulouse and C. J. Umrigar},
	Journal = {J. Chem. Phys.},
	Pages = {064104},
	Title = {Basis set construction for molecular electronic structure theory: Natural orbital and Gauss--Slater basis for smooth pseudopotentials},
	Volume = {134},
	Year = {2011}}

@article{PetTouUmr-JCP-12,
	Author = {F. R. Petruzielo and J. Toulouse and C. J. Umrigar},
	Journal = {J. Chem. Phys.},
	Pages = {124116},
	Title = {{Approaching chemical accuracy with quantum Monte Carlo}},
	Volume = {136},
	Year = {2012}}

@article{PevHea-JCP-13,
	Author = {Roberto Peverati and Martin Head-Gordon},
	Journal = {J. Chem. Phys.},
	Pages = {024110},
	Title = {Orbital optimized double-hybrid density functionals},
	Volume = {139},
	Year = {2013}}

@article{PevTru-JPCL-11,
	Author = {Roberto Peverati and Donald G. Truhlar},
	Journal = {J. Phys. Chem. Lett.},
	Pages = {2810},
	Volume = {2},
	Year = {2011}}

@article{PevTru-JPCL-12,
	Author = {Roberto Peverati and Donald G. Truhlar},
	Journal = {J. Phys. Chem. Lett.},
	Pages = {117},
	Volume = {3},
	Year = {2012}}

@article{PevTru-PTRSA-14,
	Abstract = {Kohn{\textendash}Sham density functional theory is in principle an exact formulation of quantum mechanical electronic structure theory, but in practice we have to rely on approximate exchange{\textendash}correlation (xc) functionals. The objective of our work has been to design an xc functional with broad accuracy across as wide an expanse of chemistry and physics as possible, leading{\textemdash}as a long-range goal{\textemdash}to a functional with good accuracy for all problems, i.e. a universal functional. To guide our path towards that goal and to measure our progress, we have developed{\textemdash}building on earlier work of our group{\textemdash}a set of databases of reference data for a variety of energetic and structural properties in chemistry and physics. These databases include energies of molecular processes, such as atomization, complexation, proton addition and ionization; they also include molecular geometries and solid-state lattice constants, chemical reaction barrier heights, and cohesive energies and band gaps of solids. For this paper, we gather many of these databases into four comprehensive databases, two with 384 energetic data for chemistry and solid-state physics and another two with 68 structural data for chemistry and solid-state physics, and we test two wave function methods and 77 density functionals (12 Minnesota meta functionals and 65 others) in a consistent way across this same broad set of data. We especially highlight the Minnesota density functionals, but the results have broader implications in that one may see the successes and failures of many kinds of density functionals when they are all applied to the same data. Therefore, the results provide a status report on the quest for a universal functional.},
	Author = {Peverati, Roberto and Truhlar, Donald G.},
	Doi = {10.1098/rsta.2012.0476},
	Isbn = {1471-2962},
	Issn = {1364-503X},
	Journal = {Phil. Trans. R. Soc. A},
	Note = {preprint at http://arxiv.org/abs/1212.0944},
	Number = {2011},
	Pages = {20120476},
	Publisher = {The Royal Society},
	Title = {Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physics},
	Volume = {372},
	Year = {2014},
	Bdsk-Url-1 = {https://doi.org/10.1098/rsta.2012.0476}}

@article{PhiKanZgi-JCP-15,
	Author = {J. J. Phillips and A. A. Kananenka and D. Zgid},
	Journal = {J. Chem. Phys.},
	Pages = {194108},
	Volume = {142},
	Year = {2015}}

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	Journal = {Mol. Phys.},
	Pages = {1013},
	Volume = {26},
	Year = {1973}}

@book{PinNoz-BOOK-89,
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	Title = {The Theory of Quantum Liquids},
	Year = {1989}}

@article{PisDov-IJQC-80,
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	Journal = {Int. J. Quantum Chem.},
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	Volume = {17},
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@article{PisMasCasHalSchUsv-JCC-08,
	Author = {C. Pisani and L. Maschio and S. Casassa and M. Halo and M. Sch\"utz and D. Usvyat},
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	Pages = {2113},
	Volume = {29},
	Year = {2008}}

@article{BytLaiRuedenJCP05,
	Author = {Bytautas,Laimutis and Ruedenberg,Klaus},
	Doi = {10.1063/1.1869493},
	Eprint = {https://doi.org/10.1063/1.1869493},
	Journal = {The Journal of Chemical Physics},
	Number = {15},
	Pages = {154110},
	Title = {Correlation energy extrapolation by intrinsic scaling. IV. Accurate binding energies of the homonuclear diatomic molecules carbon, nitrogen, oxygen, and fluorine},
	Url = {https://doi.org/10.1063/1.1869493},
	Volume = {122},
	Year = {2005},
	Bdsk-Url-1 = {https://doi.org/10.1063/1.1869493}}

@article{pittner:10275,
	Author = {Jiri Pittner and Petr Nachtigall and Petr Carsky and Jozef Masik and Ivan Hubac},
	Journal = {The Journal of Chemical Physics},
	Keywords = {organic compounds; silicon compounds; coupled cluster calculations; configuration interactions},
	Number = {21},
	Pages = {10275-10282},
	Publisher = {AIP},
	Title = {Assessment of the single-root multireference Brillouin--Wigner coupled- cluster method: Test calculations on CH[sub 2], SiH[sub 2], and twisted ethylene},
	Url = {http://link.aip.org/link/?JCP/110/10275/1},
	Volume = {110},
	Year = {1999},
	Bdsk-Url-1 = {http://link.aip.org/link/?JCP/110/10275/1}}

@article{PolColLeiStoWerSav-IJQC-03,
	Author = {R. Pollet and F. Colonna and T. Leininger and H. Stoll and H.-J. Werner and A. Savin},
	Journal = {Int. J. Quantum. Chem.},
	Pages = {84},
	Title = {Exchange-Correlation Energies and Correlation Holes for Some Two- and Four-Electron Atoms along a Nonlinear Adiabatic Connection in Density Functional Theory},
	Volume = {{91}},
	Year = {2003}}

@article{PolSavLeiSto-JCP-02,
	Author = {R. Pollet and A. Savin and T. Leininger and H. Stoll},
	Journal = {J. Chem. Phys.},
	Pages = {1250},
	Title = {Combining multideterminantal wave functions with density functionals to handle near-degeneracy in atoms and molecules},
	Volume = {{116}},
	Year = {2002}}

@phdthesis{Pol-THESIS-01,
	Author = {R. Pollet},
	School = {Universit\'e Paris 6},
	Title = {D\'eveloppement et applications d'une m\'ethode g\'en\'eralisant la th\'eorie de la fonctionnelle de la densit\'e \`a plusieurs d\'eterminants de Slater},
	Type = {Th\`ese de doctorat},
	Year = {2001}}

@article{Pop-RMP-99,
	Author = {J. A. Pople},
	Journal = {Rev. Mod. Phys.},
	Pages = {1267},
	Title = {{Nobel Lecture: Quantum chemical models}},
	Volume = {{71}},
	Year = {1999}}

@article{PorDer-PRA-02,
	Author = {S. G. Porsev and A. Derevianko},
	Journal = {Phys. Rev. A},
	Pages = {020701(R)},
	Volume = {65},
	Year = {2002}}

@article{PraWooPetDunWil-TCA-11,
	Author = {{B. P. Prascher, D. E. Woon, K. A. Peterson, T. H. Dunning, Jr., and A. K. Wilson}},
	Journal = {Theor. Chem. Acc.},
	Pages = {69},
	Volume = {128},
	Year = {2011}}

@article{PreBevFah-PRB-02,
	Author = {David Prendergast and David Bevan and Stephen Fahy},
	Journal = {Phys. Rev. B},
	Pages = {155104},
	Volume = {66},
	Year = {2002}}

@article{PreNolFilFahGre-JCP-01,
	Author = {D. Prendergast and M. Nolan and C. Filippi and S. Fahy and J. C. Greer},
	Journal = {J. Chem. Phys.},
	Pages = {1626},
	Volume = {{115}},
	Year = {2001}}

@book{PreTeuVetFla-BOOK-92,
	Address = {Cambridge},
	Author = {W. Press and S. Teukolsky and W. Vetterling and B. Flannery},
	Publisher = {Cambridge University Press},
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	Year = {1992}}

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	Pages = {197},
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	Year = {1969}}

@article{PurZhaKra-JCP-09,
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	Journal = {J. Chem. Phys.},
	Pages = {094107},
	Volume = {130},
	Year = {2009}}

@misc{Qmc-PROG-XX,
	Note = {QMCMOL, a quantum Monte Carlo program written by R. Assaraf, F. Colonna, X. Krokidis, P. Reinhardt and coworkers.},
	Url = {http://www.lct.jussieu.fr/pagesequipe/qmcmol/qmcmol/},
	Bdsk-Url-1 = {http://www.lct.jussieu.fr/pagesequipe/qmcmol/qmcmol/}}

@misc{Quantumexpressoweb-PROG-XX,
	Note = {\url{http://www.quantum-espresso.org}},
	Title = {QUANTUM ESPRESSO, an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale}}

@article{RabBaeNeu-PRB-15,
	Author = {E. Rabani and R. Baer and D. Neuhauser},
	Journal = {Phys. Rev. B},
	Pages = {235302},
	Volume = {91},
	Year = {2015}}

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	Journal = {The Journal of Chemical Physics},
	Number = {11},
	Pages = {1807-1808},
	Publisher = {AIP},
	Title = {The Thermal Trans-Cis Isomerization of Dideuteroethylene},
	Url = {http://link.aip.org/link/?JCP/20/1807/2},
	Volume = {20},
	Year = {1952},
	Bdsk-Url-1 = {http://link.aip.org/link/?JCP/20/1807/2}}

@book{Rai-BOOK-72,
	Address = {Amsterdam-London},
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	Publisher = {North-Holland Publishing Company},
	Title = {Many-electron theory},
	Year = {1972}}

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	Pages = {59},
	Volume = {41},
	Year = {1980}}

@article{RajCal-PRB-73,
	Author = {A. K. Rajagopal and J. Callaway},
	Journal = {Phys. Rev. B},
	Pages = {1912},
	Volume = {7},
	Year = {1973}}

@article{Raj-JPC-78,
	Author = {A. K. Rajagopal},
	Journal = {J. Phys. C},
	Pages = {L943},
	Volume = {11},
	Year = {1978}}

@article{RamLeoNeu-ARPC-16,
	Author = {Krupa Ramasesha and Stephen R. Leone and Daniel M. Neumark},
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	Pages = {41},
	Title = {Real-Time Probing of Electron Dynamics Using Attosecond Time-Resolved Spectroscopy},
	Volume = {67},
	Year = {2016}}

@article{RamRaj-PRA-82,
	Author = {M. V. Ramana and A. K. Rajagopal},
	Journal = {Phys. Rev. A},
	Pages = {96},
	Year = {1982}}

@article{RasChi-JCP-96a,
	Author = {V. A. Rassolov and D. M. Chipman},
	Journal = {J. Chem. Phys.},
	Pages = {1470},
	Volume = {105},
	Year = {1996}}

@article{RasChi-JCP-96b,
	Author = {V. A. Rassolov and D. M. Chipman},
	Journal = {J. Chem. Phys.},
	Pages = {1479},
	Volume = {105},
	Year = {1996}}

@misc{RebSavTou-JJJ-XX,
	Author = {E. Rebolini and A. Savin and J. Toulouse},
	Note = {unpublished}}

@article{RebSavTou-MP-13,
	Author = {E. Rebolini and A. Savin and J. Toulouse},
	Journal = {Mol. Phys.},
	Pages = {1219},
	Title = {Electronic excitations from a linear-response range-separated hybrid scheme},
	Volume = {111},
	Year = {2013}}

@article{RebTeaHelSavTou-MP-18,
	Author = {E. Rebolini and A. M. Teale and T. Helgaker and A. Savin and J. Toulouse},
	Doi = {doi.org/10.1080/00268976.2017.1422811},
	Journal = {Mol. Phys.},
	Pages = {1443-1451},
	Title = {Excitation energies from G\"orling--Levy perturbation theory along the range-separated adiabatic connection},
	Volume = {116},
	Year = {2018},
	Bdsk-Url-1 = {https://doi.org/10.1080/00268976.2017.1422811}}

@phdthesis{Reb-THESIS-14,
	Author = {E. Rebolini},
	School = {Universit\'e Pierre et Marie Curie},
	Title = {Range-separated density-functional theory for molecular excitation energies},
	Type = {{Th\`ese de doctorat}},
	Url = {https://tel.archives-ouvertes.fr/tel-01027522},
	Year = {2014},
	Bdsk-Url-1 = {https://tel.archives-ouvertes.fr/tel-01027522}}

@phdthesis{Reb-THESIS-14_eng,
	Author = {E. Rebolini},
	School = {Universit\'e Pierre et Marie Curie},
	Title = {Range-separated density-functional theory for molecular excitation energies},
	Type = {{PhD thesis}},
	Url = {https://tel.archives-ouvertes.fr/tel-01027522},
	Year = {2014},
	Bdsk-Url-1 = {https://tel.archives-ouvertes.fr/tel-01027522}}

@article{RebTou-JCP-16,
	Author = {E. Rebolini and J. Toulouse},
	Doi = {http://dx.doi.org/10.1063/1.4943003},
	Journal = {J. Chem. Phys.},
	Pages = {094107},
	Title = {Range-separated time-dependent density-functional theory with a frequency-dependent second-order Bethe-Salpeter correlation kernel},
	Volume = {144},
	Year = {2016},
	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.4943003}}

@misc{RebTou-JJJ-XX-note1,
	Note = {The last two terms of the kernel in Eq. (31) of Ref.~\onlinecite{ZhaSteYan-JCP-13} contain non-antisymmetrized two-electron integrals. However, these terms can also be written with a factor of $1/2$ and antisymmetrized two-electron integrals, leading to our Eq.~(\ref{eq:eff kernel iajb}).}}

@incollection{RebTouSav-INC-13,
	Author = {E. Rebolini and J. Toulouse and A. Savin},
	Booktitle = {Electronic Structure and Reactivity},
	Editor = {S. K. Ghosh and P. K. Chattaraj},
	Note = {preprint at http://arxiv.org/abs/1304.1314},
	Pages = {367-390},
	Publisher = {CRC Press},
	Series = {Concepts and Methods in Modern Theoretical Chemistry Vol. 1},
	Title = {Electronic excitation energies of molecular systems from the Bethe-Salpeter equation: Example of the H$_2$ molecule},
	Year = {2013}}

@misc{RebTouSav-JJJ-XX-note,
	Note = {With the notations used here, the Hubbard model is obtained for $\Delta\varepsilon = 2 t$ and $J_{11}=J_{22}=J_{12}=J_{12}=K_{12}=U/2$ where $t$ is the hopping parameter and $U$ is the on-site Coulomb interaction.}}

@article{RebTouTeaHelSav-JCP-14,
	Author = {E. Rebolini and J. Toulouse and A. M. Teale and T. Helgaker and A. Savin},
	Doi = {http://dx.doi.org/10.1063/1.4890652},
	Journal = {Journal of Chemical Physics},
	Pages = {044123},
	Title = {Excitation energies along a range-separated adiabatic connection},
	Volume = {141},
	Year = {2014},
	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.4890652}}

@misc{RebTouTeaHelSav-JJJ-XX-sup,
	Note = {See supplementary material at http://xxxxxxxx for the fits of the total and excitation energies.}}

@article{RebTouTeaHelSav-MP-15,
	Author = {E. Rebolini and J. Toulouse and A. M. Teale and T. Helgaker and A. Savin},
	Doi = {http://dx.doi.org/10.1080/00268976.2015.1011248},
	Journal = {Mol. Phys.},
	Pages = {1740},
	Title = {Excited states from range-separated density-functional perturbation theory},
	Volume = {113},
	Year = {2015},
	Bdsk-Url-1 = {http://dx.doi.org/10.1080/00268976.2015.1011248}}

@article{RebTouTeaHelSav-PRA-15,
	Author = {E. Rebolini and J. Toulouse and A. M. Teale and T. Helgaker and A. Savin},
	Doi = {http://dx.doi.org/10.1103/PhysRevA.91.032519},
	Journal = {Phys. Rev. A},
	Pages = {032519},
	Title = {Calculating excitation energies by extrapolation along adiabatic connections},
	Volume = {91},
	Year = {2015},
	Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevA.91.032519}}

@article{RefJaiShaNeaKro-PRB-15,
	Author = {Sivan Refaely-Abramson and Manish Jain and Sahar Sharifzadeh and Jeffrey B. Neaton and Leeor Kronik},
	Journal = {Phys. Rev. B},
	Pages = {081204(R)},
	Volume = {92},
	Year = {2015}}

@article{RefShaGovAutNeaBaeKro-PRL-12,
	Author = {S. Refaely-Abramson and Sahar Sharifzadeh and Niranjan Govind and Jochen Autschbach and Jeffrey B. Neaton and Roi Baer and Leeor Kronik},
	Journal = {Phys. Rev. Lett.},
	Pages = {226405},
	Volume = {109},
	Year = {2012}}

@article{RegTha-JPB-84,
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	Journal = {J. Phys. B},
	Pages = {3391},
	Volume = {17},
	Year = {1984}}

@article{ReiMal-JCP-98,
	Author = {P. Reinhardt and J. P. Malrieu},
	Journal = {J. Chem. Phys.},
	Pages = {7632},
	Volume = {109},
	Year = {1998}}

@article{ReiMal-JCP-99,
	Author = {P. Reinhardt and J. P. Malrieu},
	Journal = {J. Chem. Phys.},
	Pages = {775},
	Volume = {110},
	Year = {1999}}

@article{ReiMalPovRub-IJQC-97,
	Author = {P. Reinhardt and J.-P. Malrieu and A. Povill and J. Rubio},
	Journal = {Int. J. Quantum Chem.},
	Pages = {167},
	Volume = {70},
	Year = {1997}}

@article{ReiTho-ZP-25,
	Author = {F. Reiche and W. Thomas},
	Journal = {Z. Phys.},
	Pages = {510},
	Volume = {34},
	Year = {1925}}

@misc{ReiTouAngSav-JJJ-XX,
	Author = {P. Reinhardt and J. Toulouse and J. G. \'Angy\'an and A. Savin},
	Note = {unpublished}}

@incollection{ReiTouAssUmrHog-INC-12,
	Address = {Washington, DC},
	Author = {P. Reinhardt and J. Toulouse and R. Assaraf and C. J. Umrigar and P. E. Hoggan},
	Booktitle = {Advances in Quantum Monte Carlo},
	Editor = {{S. Tanaka, S. M. Rothstein, and W. A. Lester, Jr.}},
	Pages = {53-63},
	Publisher = {American Chemical Society},
	Series = {ACS Symposium Series Vol. 1094},
	Title = {Quantum Monte Carlo Facing the Hartree-Fock Symmetry Dilemma: The Case of Hydrogen Rings},
	Year = {2012}}

@article{ReiTouSav-TCA-18,
	Author = {Peter Reinhardt and Julien Toulouse and Andreas Savin},
	Doi = {10.1007/s00214-018-2370-5},
	Journal = {Theor. Chem. Acc.},
	Pages = {168},
	Volume = {137},
	Year = {2018},
	Bdsk-Url-1 = {https://doi.org/10.1007/s00214-018-2370-5}}

@article{RenRinBluWieTkaSanReuSch-NJP-12,
	Author = {Xinguo Ren and Patrick Rinke and Volker Blum and Jurgen Wieferink and Alexandre Tkatchenko and Andrea Sanfilippo and Karsten Reuter and Matthias Scheffler},
	Journal = {New J. Phys.},
	Pages = {053020},
	Volume = {14},
	Year = {2012}}

@article{RenRinJoaSch-JMS-12,
	Affiliation = {Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany},
	Author = {Ren, Xinguo and Rinke, Patrick and Joas, Christian and Scheffler, Matthias},
	Journal = {J. Mater. Sci.},
	Keyword = {Chemistry and Materials Science},
	Optnote = {10.1007/s10853-012-6570-4},
	Opturl = {http://dx.doi.org/10.1007/s10853-012-6570-4},
	Owner = {gambort},
	Pages = {7447},
	Publisher = {Springer Netherlands},
	Timestamp = {2012.07.06},
	Title = {Random-phase approximation and its applications in computational chemistry and materials science},
	Volume = {47},
	Year = {2012}}

@article{RenRinSch-PRB-09,
	Author = {Ren, Xinguo and Rinke, Patrick and Scheffler, Matthias},
	Doi = {10.1103/PhysRevB.80.045402},
	Journal = {Phys. Rev. B},
	Month = {Jul},
	Number = {4},
	Numpages = {8},
	Pages = {045402},
	Publisher = {American Physical Society},
	Title = {Exploring the random phase approximation: Application to CO adsorbed on Cu(111)},
	Volume = {80},
	Year = {2009},
	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevB.80.045402}}

@article{RenTkaRinSch-PRL-11,
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@misc{TouGerJanSavAng-JJJ-XX-note,
	Note = {For Ne$_{2}$ at equilibrium distance with aug-cc-pVQZ basis, the counterpoise correction on the interaction energy is 16 $\mu$H for RSH+RPAx and 62 $\mu$H for standard MP2.}}

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@misc{TouSav-JJJ-XX,
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	Title = {in preparation}}

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@phdthesis{Tou-THESIS-05,
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	Note = {unpublished}}

@misc{TouZhuAngSav-JJJ-XX-note2,
	Note = {In the context of density-functional theory RPA is usually derived from the Kohn-Sham reference, while in the context of many-body perturbation theory (see appendices) RPA is usually derived from the HF reference. Therefore, both PBE+RPA and HF+RPA are theoretically justified.}}

@misc{TouZhuAngSav-JJJ-XX-note3,
	Note = {The inverse of a 4-point function $\chi (1,2;1',2')$ is defined according to $\int d1'd2' \chi (1,2;1',2') \chi^{-1} (2',1';4,3) = \delta(1,3) \delta (2,4)$.}}

@misc{TouZhuAngSav-JJJ-XX-note,
	Note = {The short-range self-energy correction $\Delta \Sigma^\sr_\l$ is wrongly missing in Eq.~(11) of Ref.~\onlinecite{TouGerJanSavAng-PRL-09}. However, in practice, this term vanishes in the RPA or RPAx approximation so that the results of Ref.~\onlinecite{TouGerJanSavAng-PRL-09} are correct.}}

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	Note = {unpublished}}

@misc{TouZhuSavJanAng-JJJ-XX-note,
	Note = {In Ref.~\onlinecite{Hes-JCP-11}, AC-RPA, NRPA1, NRPA3, and NRPA4 refer to what we call here RPAx-I, RPAx-II, RPA-SO2, and RPA-SO1, respectively. In addition, NRPA2 corresponds to the variant of Fukuda {\it et al.}, i.e. $2E_{c,\RPAxII}-E_{c,\text{MP2}}$.}}

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@book{ZalPapMezLes-BOOK-11,
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	Author = {Lorenzo Zecca and Paola Gori-Giorgi and Saverio Moroni and Giovanni B. Bachelet},
	Journal = {Phys. Rev. B},
	Keywords = {density functional theory; Monte Carlo methods; ground states; electron gas; electron density; electron correlations},
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	Publisher = {APS},
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@article{ZhaLuoXu-JCP-10b,
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	Journal = {J. Chem. Phys.},
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@article{ZhaLynTru-PCCP-05,
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	Volume = {7},
	Year = {2005}}

@article{ZhaPar-PRA-92,
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@article{ZhaSchTru-JCTC-06,
	Author = {Y. Zhao and N. E. Schultz and D. G. Truhlar},
	Journal = {J. Chem. Theory Comput.},
	Pages = {364},
	Volume = {2},
	Year = {2006}}

@article{ZhaSteYan-JCP-13,
	Abstract = {We present a dynamical second-order kernel for the Bethe-Salpeter equation to calculate electronic excitation energies. The derivation takes explicitly the functional derivative of the exact second-order self energy with respect to the one-particle Green's function. It includes naturally a frequency dependence, going beyond the adiabatic approximation. Perturbative calculations under the Tamm-Dancoff approximation, using the configuration interaction singles (CIS) eigenvectors, reveal an appreciable improvement over CIS, time-dependent Hartree-Fock, and adiabatic time-dependent density functional theory results. The perturbative results also compare well with equation-of-motion coupled-cluster and experimental results.},
	Author = {Zhang, Du and Steinmann, Stephan N and Yang, Weitao},
	Journal = {J. Chem. Phys.},
	Month = oct,
	Number = {15},
	Pages = {154109},
	Pmid = {24160502},
	Publisher = {American Institute of Physics},
	Title = {{Dynamical second-order Bethe-Salpeter equation kernel: A method for electronic excitation beyond the adiabatic approximation.}},
	Volume = {139},
	Year = {2013}}

@article{ZhaSuBreAdaXu-JCP-12,
	Author = {I. Y. Zhang and N. Q. Su and E. A. G. Br\'emond and C. Adamo},
	Journal = {J. Chem. Phys.},
	Pages = {174103},
	Volume = {136},
	Year = {2012}}

@article{ZhaTru-JCTC-07,
	Author = {Y. Zhao and D. G. Truhlar},
	Journal = {J. Chem. Theory Comput.},
	Pages = {289},
	Title = {Density Functionals for Noncovalent Interaction Energies of Biological Importance},
	Volume = {3},
	Year = {2007}}

@article{ZhaTru-TCA-08,
	Author = {Y. Zhao and D. G. Truhlar},
	Journal = {Theor. Chem. Acc.},
	Pages = {215},
	Volume = {120},
	Year = {2008}}

@article{ZhaWuXu-CC-10,
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	Volume = {46},
	Year = {2010}}

@article{ZhaXuGod-PNAS-09,
	Author = {{Y. Zhang, X. Xu and W. A. Goddard III}},
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	Pages = {4963},
	Volume = {106},
	Year = {2009}}

@article{ZhaXuGod-PNAS-09_fr,
	Author = {{Y. Zhang, X. Xu et W. A. Goddard III}},
	Journal = {Proc. Natl. Acad. Sci. U.S.A.},
	Pages = {4963},
	Volume = {106},
	Year = {2009}}

@article{ZhaXu-IRPC-11,
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	Volume = {30},
	Year = {2011}}

@article{ZhaXu-JPCL-13,
	Author = {I. Y. Zhang and X. Xu},
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	Volume = {4},
	Year = {2013}}

@article{ZhaXuJunGod-PNAS-11,
	Author = {{I. Y. Zhang, X. Xu, Y. Jung, and W. A. Goddard III}},
	Journal = {Proc. Natl. Acad. Sci. U.S.A.},
	Pages = {19896},
	Volume = {108},
	Year = {2011}}

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	Author = {Y. Zhang and W. Yang},
	Journal = {J. Chem. Phys.},
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	Volume = {109},
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@article{ZheZhaTru-JCTC-07,
	Author = {J. Zheng and Y. Zhao and D. G. Truhlar},
	Journal = {J. Chem. Theory Comput.},
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	Volume = {3},
	Year = {2007}}

@article{ZheZhaTru-JCTC-09,
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	Journal = {J. Chem. Theory Comput.},
	Pages = {808},
	Volume = {5},
	Year = {2009}}

@article{ZhoChu-PRA-09,
	Author = {Z. Zhou and S.-I. Chu},
	Journal = {Phys. Rev. A},
	Pages = {053412},
	Volume = {79},
	Year = {2009}}

@article{ZhuTouSavAng-JCP-10,
	Author = {Wuming Zhu and Julien Toulouse and Andreas Savin and J\'anos G. \'Angy\'an},
	Journal = {J. Chem. Phys.},
	Pages = {244108},
	Title = {Range-separated density-functional theory with random phase approximation applied to noncovalent intermolecular interactions},
	Volume = {132},
	Year = {2010}}

@misc{ZhuTouSavAng-JJJ-XX,
	Author = {W. Zhu and J. Toulouse and A. Savin and J. G. \'Angy\'an},
	Note = {unpublished}}

@article{ZieCio-PA-05,
	Author = {P. Ziesche and J. Cioslowski},
	Journal = {Physica A},
	Year = {to appear}}

@article{Zie-JPC-80,
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	Journal = {J. Phys. C},
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@article{ZieSetKryAutWan-JCP-09,
	Author = {T. Ziegler and M. Seth and M. Krykunov and J. Autschbach and F. Wang},
	Journal = {J. Chem. Phys.},
	Pages = {154102},
	Volume = {130},
	Year = {2009}}

@article{ZimParKou-JCP-04,
	Author = {U. Zimmerli and M. Parrinello and P. Koumoutsakos},
	Journal = {J. Chem. Phys.},
	Pages = {2693},
	Volume = {120},
	Year = {2004}}

@article{ZimTouZhaMusUmr-JCP-09,
	Author = {P. M. Zimmerman and J. Toulouse and Z. Zhang and C. B. Musgrave and C. J. Umrigar},
	Journal = {J. Chem. Phys.},
	Pages = {124103},
	Title = {Excited states of methylene from quantum Monte Carlo},
	Volume = {131},
	Year = {2009}}

@article{ZucPodMosJezSza-JCP-08,
	Author = {P. S. Zuchowski and R. Podeszwa and R. Moszynski and B. Jeziorski and K. Szalewicz},
	Journal = {J. Chem. Phys.},
	Pages = {084101},
	Title = {{Symmetry-adapted perturbation theory utilizing density functional description of monomers for high-spin open-shell complexes}},
	Volume = {129},
	Year = {2008}}

@article{FerGinTou-JCP-18,
	Author = {Fert{\'e},Anthony and Giner,Emmanuel and Toulouse,Julien},
	Date-Modified = {2019-04-07 14:03:44 +0200},
	Doi = {10.1063/1.5082638},
	Journal = {J. Chem. Phys.},
	Number = {8},
	Pages = {084103},
	Title = {Range-separated multideterminant density-functional theory with a short-range correlation functional of the on-top pair density},
	Volume = {150},
	Year = {2019},
	Bdsk-Url-1 = {https://doi.org/10.1063/1.5082638}}

@article{GoriSav-PRA-06,
	Author = {Gori-Giorgi, Paola and Savin, Andreas},
	Doi = {10.1103/PhysRevA.73.032506},
	Issue = {3},
	Journal = {Phys. Rev. A},
	Month = {Mar},
	Numpages = {9},
	Pages = {032506},
	Publisher = {American Physical Society},
	Title = {Properties of short-range and long-range correlation energy density functionals from electron-electron coalescence},
	Url = {https://link.aps.org/doi/10.1103/PhysRevA.73.032506},
	Volume = {73},
	Year = {2006},
	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevA.73.032506},
	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevA.73.032506}}

@article{PazMorGorBac-PRB-06,
	Author = {Paziani, Simone and Moroni, Saverio and Gori-Giorgi, Paola and Bachelet, Giovanni B.},
	Date-Modified = {2019-04-07 14:56:44 +0200},
	Doi = {10.1103/PhysRevB.73.155111},
	Issue = {15},
	Journal = {Phys. Rev. B},
	Month = {Apr},
	Numpages = {9},
	Pages = {155111},
	Publisher = {American Physical Society},
	Title = {Local-spin-density functional for multideterminant density functional theory},
	Url = {https://link.aps.org/doi/10.1103/PhysRevB.73.155111},
	Volume = {73},
	Year = {2006},
	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.73.155111},
	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.73.155111}}

@article{GinTewGarAla-JCTC-18,
	Author = {Giner, Emmanuel and Tew, David P. and Garniron, Yann and Alavi, Ali},
	Doi = {10.1021/acs.jctc.8b00591},
	Eprint = {https://doi.org/10.1021/acs.jctc.8b00591},
	Journal = {Journal of Chemical Theory and Computation},
	Note = {PMID: 30347156},
	Number = {12},
	Pages = {6240-6252},
	Title = {Interplay between Electronic Correlation and Metal--Ligand Delocalization in the Spectroscopy of Transition Metal Compounds: Case Study on a Series of Planar Cu2+ Complexes},
	Url = {https://doi.org/10.1021/acs.jctc.8b00591},
	Volume = {14},
	Year = {2018},
	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b00591}}

@article{LooBogSceCafJAc-JCTC-19,
	Author = {Loos, Pierre-Fran{\c c}ois and Boggio-Pasqua, Martial and Scemama, Anthony and Caffarel, Michel and Jacquemin, Denis},
	Date-Modified = {2019-04-07 14:02:34 +0200},
	Doi = {10.1021/acs.jctc.8b01205},
	Journal = {J. Chem. Theory Comput.},
	Number = {3},
	Pages = {1939-1956},
	Title = {Reference Energies for Double Excitations},
	Volume = {15},
	Year = {2019},
	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b01205}}

@article{LooSceBloGarCafJac-JCTC-18,
	Author = {Loos, Pierre-Fran{\c c}ois and Scemama, Anthony and Blondel, Aymeric and Garniron, Yann and Caffarel, Michel and Jacquemin, Denis},
	Date-Modified = {2019-04-07 14:03:07 +0200},
	Doi = {10.1021/acs.jctc.8b00406},
	Journal = {J. Chem. Theory Comput.},
	Number = {8},
	Pages = {4360-4379},
	Title = {A Mountaineering Strategy to Excited States: Highly Accurate Reference Energies and Benchmarks},
	Volume = {14},
	Year = {2018},
	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b00406}}

@article{HolUmrSha-JCP-17,
	Author = {Holmes,Adam A. and Umrigar,C. J. and Sharma,Sandeep},
	Doi = {10.1063/1.4998614},
	Eprint = {https://doi.org/10.1063/1.4998614},
	Journal = {The Journal of Chemical Physics},
	Number = {16},
	Pages = {164111},
	Title = {Excited states using semistochastic heat-bath configuration interaction},
	Url = {https://doi.org/10.1063/1.4998614},
	Volume = {147},
	Year = {2017},
	Bdsk-Url-1 = {https://doi.org/10.1063/1.4998614}}

@article{stochastic_pt_yan,
	Author = {Yann Garniron and Anthony Scemama and Pierre-Fran{\c c}ois Loos and Michel Caffarel},
	Doi = {10.1063/1.4992127},
	Journal = {J. Chem. Phys.},
	Number = {3},
	Pages = {034101},
	Title = {Hybrid stochastic-deterministic calculation of the second-order perturbative contribution of multireference perturbation theory},
	Url = {https://doi.org/10.1063/1.4992127},
	Volume = {147},
	Year = {2017},
	Bdsk-Url-1 = {https://doi.org/10.1063/1.4992127}}

@article{GorSav-PRA-06,
	Author = {Gori-Giorgi, Paola and Savin, Andreas},
	Doi = {10.1103/PhysRevA.73.032506},
	Issue = {3},
	Journal = {Phys. Rev. A},
	Month = {Mar},
	Numpages = {9},
	Pages = {032506},
	Publisher = {American Physical Society},
	Title = {Properties of short-range and long-range correlation energy density functionals from electron-electron coalescence},
	Url = {https://link.aps.org/doi/10.1103/PhysRevA.73.032506},
	Volume = {73},
	Year = {2006},
	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevA.73.032506},
	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevA.73.032506}}

@article{HalHelJorKloKocOlsWil-CPL-98,
	Abstract = {Valence and all-electron correlation energies of Ne, N2, and H2O at fixed experimental geometries are computed at the levels of second-order perturbation theory (MP2) and coupled cluster theory with singles and doubles excitations (CCSD), and singles and doubles excitations with a perturbative triples correction (CCSD(T)). Correlation-consistent polarized valence and core-valence basis sets up to sextuple zeta quality are employed. Guided by basis-set limits established by rij-dependent methods, a number of extrapolation schemes for use with the correlation-consistent basis sets are investigated. Among the schemes considered here, a linear least-squares procedure applied to the quintuple and sextuple zeta results yields the most accurate extrapolations.},
	Author = {Asger Halkier and Trygve Helgaker and Poul J{\o}rgensen and Wim Klopper and Henrik Koch and Jeppe Olsen and Angela K. Wilson},
	Date-Modified = {2019-04-07 14:59:22 +0200},
	Doi = {https://doi.org/10.1016/S0009-2614(98)00111-0},
	Issn = {0009-2614},
	Journal = {Chem. Phys. Lett.},
	Number = {3},
	Pages = {243 - 252},
	Title = {Basis-set convergence in correlated calculations on Ne, N2, and H2O},
	Url = {http://www.sciencedirect.com/science/article/pii/S0009261498001110},
	Volume = {286},
	Year = {1998},
	Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0009261498001110},
	Bdsk-Url-2 = {https://doi.org/10.1016/S0009-2614(98)00111-0}}

@article{DasHer-JCC-17,
	Author = {Dasgupta, Saswata and Herbert, John M.},
	Doi = {10.1002/jcc.24761},
	Eprint = {https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.24761},
	Journal = {Journal of Computational Chemistry},
	Number = {12},
	Pages = {869-882},
	Title = {Standard grids for high-precision integration of modern density functionals: SG-2 and SG-3},
	Volume = {38},
	Year = {2017},
	Bdsk-Url-1 = {https://doi.org/10.1002/jcc.24761}}

@article{rs_dft_toul_colo_savin,
	Author = {J. Toulouse and F. Colonna and A. Savin},
	Doi = {10.1103/PhysRevA.70.062505},
	Issue = {6},
	Journal = {Phys. Rev. A},
	Month = {Dec},
	Numpages = {16},
	Pages = {062505},
	Publisher = {American Physical Society},
	Title = {Long-range--short-range separation of the electron-electron interaction in density-functional theory},
	Url = {https://link.aps.org/doi/10.1103/PhysRevA.70.062505},
	Volume = {70},
	Year = {2004},
	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevA.70.062505},
	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevA.70.062505}}